N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide

C18H22N2O2S — CID 51082558

IUPACN-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C18H22N2O2S/c1-3-20(11-14-9-10-22-12-14)18(21)16-13(2)19-17(23-16)15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3
InChIKeyQSAASCIYIZZDNX-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.62
Rot. Bonds5

About N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide

N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 51082558) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID51082558
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C18H22N2O2S/c1-3-20(11-14-9-10-22-12-14)18(21)16-13(2)19-17(23-16)15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3
InChIKeyQSAASCIYIZZDNX-UHFFFAOYSA-N
XLogP3.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
CID 95287110
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
4-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 126766581
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
N-ethyl-6-(furan-2-yl)-2-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-3-carboxamide
CID 95296137
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
CID 42796160
2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide
CID 42796190
N-ethyl-7-methoxy-2-methyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-3-carboxamide
CID 94799893
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 95276771
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 51082558) is N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide is CCN(CC1CCOC1)C(=O)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is QSAASCIYIZZDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-20(11-14-9-10-22-12-14)18(21)16-13(2)19-17(23-16)15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide?
N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51082558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).